Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 XYZ file: triclinicpbc.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw total energy: 31.605909 eV Total energy with isolated atomic energies subtracted: 31.605909 eV